1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole

C64H108N20 — CID 161233840

IUPAC1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncn[nH]1.CC(C)c1nncn1C
InChIInChI=1S/3C7H12N2.2C7H11N.C6H11N3.3C6H10N2.C5H9N3/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*4-6H,1-3H3;2*3-6,8H,1-2H3;4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyUZCLBRDCKMJFCV-UHFFFAOYSA-N
MW1157.71 g/mol
LogP15.37
Rot. Bonds10

About 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole

1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 161233840) has the molecular formula C64H108N20 and a molecular weight of 1157.71 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID161233840
Molecular FormulaC64H108N20
Molecular Weight1157.71 g/mol
Exact Mass1156.91
IUPAC Name1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncn[nH]1.CC(C)c1nncn1C
InChIInChI=1S/3C7H12N2.2C7H11N.C6H11N3.3C6H10N2.C5H9N3/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*4-6H,1-3H3;2*3-6,8H,1-2H3;4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyUZCLBRDCKMJFCV-UHFFFAOYSA-N
XLogP15.37
TPSA243.36 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001157.71
LogP ≤ 515.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole (CID 161233840) is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncn1C.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncn[nH]1.CC(C)c1nncn1C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is UZCLBRDCKMJFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.2C7H11N.C6H11N3.3C6H10N2.C5H9N3/c1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-8-7-4-9(6)3;2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*4-6H,1-3H3;2*3-6,8H,1-2H3;4-5H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8).
What are the key properties of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole?
1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1157.71 g/mol, XLogP of 15.37, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 161233840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).